| CAS Number | 124524-76-1 |
| Catalog Number | AG019EWL(AGN-PC-0WG4W3) |
| Chemical Name | Ethyl 4-hydroxychroman-2-carboxylate |
| IUPAC Name | ethyl 4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate |
| InChI | InChI=1S/C12H14O4/c1-2-15-12(14)11-7-9(13)8-5-3-4-6-10(8)16-11/h3-6,9,11,13H,2,7H2,1H3 |
| InChI Key | CIPIWXNIUAXRBO-UHFFFAOYSA-N |
| MDL Number | MFCD30185145 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | CCOC(=O)C1CC(O)c2ccccc2O1 |
| Synonyms | Ethyl 4-hydroxychroman-2-carboxylate,
124524-76-1,
AKOS027428946,
CS-0039086,
Ethyl 4-Hydroxychroman-2-Carboxylate(WX142047),
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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